1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide

C17H24N4O4S — CID 74235390

IUPAC1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
SMILESCS(=O)(=O)N1CCCC(CNC(=O)c2ccc3c(c2)ncn3CCO)C1
InChIInChI=1S/C17H24N4O4S/c1-26(24,25)21-6-2-3-13(11-21)10-18-17(23)14-4-5-16-15(9-14)19-12-20(16)7-8-22/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3,(H,18,23)
InChIKeySPXUBXFWEVBEJF-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.43
Rot. Bonds6

About 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide

1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 74235390) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
PubChem CID74235390
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
SMILESCS(=O)(=O)N1CCCC(CNC(=O)c2ccc3c(c2)ncn3CCO)C1
InChIInChI=1S/C17H24N4O4S/c1-26(24,25)21-6-2-3-13(11-21)10-18-17(23)14-4-5-16-15(9-14)19-12-20(16)7-8-22/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3,(H,18,23)
InChIKeySPXUBXFWEVBEJF-UHFFFAOYSA-N
XLogP0.43
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
[1-(2-hydroxyethyl)benzimidazol-5-yl]-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72854942
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
CID 126448246
4-[(1-methylsulfonylpiperidin-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 77078744
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476
1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid
CID 106339626
1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
CID 106003508
2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
CID 92633758
1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
CID 74232760

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide (CID 74235390) is 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide is CS(=O)(=O)N1CCCC(CNC(=O)c2ccc3c(c2)ncn3CCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is SPXUBXFWEVBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-26(24,25)21-6-2-3-13(11-21)10-18-17(23)14-4-5-16-15(9-14)19-12-20(16)7-8-22/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3,(H,18,23).
What are the key properties of 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 74235390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).